[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone

C20H23N3O2S — CID 20856255

IUPAC[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)N4CCCC(C)C4)cc23)c1
InChIInChI=1S/C20H23N3O2S/c1-13-6-5-9-23(12-13)19(24)17-11-16-18(21-22(2)20(16)26-17)14-7-4-8-15(10-14)25-3/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3
InChIKeyFYVMDMQVIYMXOL-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.18
Rot. Bonds3

About [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone

[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 20856255) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID20856255
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(-c2nn(C)c3sc(C(=O)N4CCCC(C)C4)cc23)c1
InChIInChI=1S/C20H23N3O2S/c1-13-6-5-9-23(12-13)19(24)17-11-16-18(21-22(2)20(16)26-17)14-7-4-8-15(10-14)25-3/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3
InChIKeyFYVMDMQVIYMXOL-UHFFFAOYSA-N
XLogP4.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

ethyl 4-[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 24761204
ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 3482605
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 92661763
[(3R)-3-methylpiperidin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 29096522
N-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856247
[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110373220
4-(3-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332379
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856266
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856297
(3aS,6aS)-5-(1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146039206
(3-aminopiperidin-1-yl)-(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)methanone
CID 119380024
[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 20858249

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone (CID 20856255) is [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone is COc1cccc(-c2nn(C)c3sc(C(=O)N4CCCC(C)C4)cc23)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FYVMDMQVIYMXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-6-5-9-23(12-13)19(24)17-11-16-18(21-22(2)20(16)26-17)14-7-4-8-15(10-14)25-3/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3.
What are the key properties of [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone?
[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 369.49 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 20856255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).